2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol

C7H18N2O6S — CID 107848380

IUPAC2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
SMILESCOCCNS(=O)(=O)NC(CO)(CO)CO
InChIInChI=1S/C7H18N2O6S/c1-15-3-2-8-16(13,14)9-7(4-10,5-11)6-12/h8-12H,2-6H2,1H3
InChIKeyOUQSTTRHRHUUJJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP-3.23
Rot. Bonds9

About 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol (PubChem CID 107848380) has the molecular formula C7H18N2O6S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
PubChem CID107848380
Molecular FormulaC7H18N2O6S
Molecular Weight258.30 g/mol
Exact Mass258.09
IUPAC Name2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
SMILESCOCCNS(=O)(=O)NC(CO)(CO)CO
InChIInChI=1S/C7H18N2O6S/c1-15-3-2-8-16(13,14)9-7(4-10,5-11)6-12/h8-12H,2-6H2,1H3
InChIKeyOUQSTTRHRHUUJJ-UHFFFAOYSA-N
XLogP-3.23
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-3.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide
CID 114815221
4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
CID 106143688
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960
methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
CID 114464184
methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
CID 107866829
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol
CID 102739274

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol (CID 107848380) is 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol is COCCNS(=O)(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol?
The InChIKey is OUQSTTRHRHUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O6S/c1-15-3-2-8-16(13,14)9-7(4-10,5-11)6-12/h8-12H,2-6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol has a molecular weight of 258.30 g/mol, XLogP of -3.23, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol is sourced from PubChem (CID 107848380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).